3-[3-[ethyl(methyl)azaniumyl]phenyl]sulfanyl-2-(6-methoxynaphthalen-2-yl)-2-methyl-pentanoate

Systemtic Name: 3-[3-[ethyl(methyl)azaniumyl]phenyl]sulfanyl-2-(6-methoxynaphthalen-2-yl)-2-methyl-pentanoate Openeye Name: 3-[3-[ethyl(methyl)ammonio]phenyl]sulfanyl-2-(6-methoxy-2-naphthyl)-2-methyl-pentanoate CAS Name: 3-[[3-[ethyl(methyl)ammonio]phenyl]thio]-2-(6-methoxy-2-naphthalenyl)-2-methylpentanoate IUPAC Name: 3-[3-[ethyl(methyl)azaniumyl]phenyl]sulfanyl-2-(6-methoxynaphthalen-2-yl)-2-methylpentanoate Traditional Name: 3-[[3-[ethyl(methyl)ammonio]phenyl]thio]-2-(6-methoxy-2-naphthyl)-2-methyl-valerate Formula: C26H31NO3S MolecularWeight: 437.59424

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)[O-])SC3=CC=CC(=C3)[NH+](C)CC

Isomeric SMILES

CCC(C(C)(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)[O-])SC3=CC=CC(=C3)[NH+](C)CC

InChI

InChI=1S/C26H31NO3S/c1-6-24(31-23-10-8-9-21(17-23)27(4)7-2)26(3,25(28)29)20-13-11-19-16-22(30-5)14-12-18(19)15-20/h8-17,24H,6-7H2,1-5H3,(H,28,29)